N'-hydroxy-5-[4-nitro-3-(trifluoromethyl)phenyl]furan-2-carboximidamide

Formula:C12H8N3O4F3 Mutagenic:high Tumorigenic:none Reproductive Effective:none N'-hydroxy-5-[4-nitro-3-(trifluoromethyl)phenyl]furan-2-carboximidamide is a drug-like molecule.

MolName	N'-hydroxy-5-[4-nitro-3-(trifluoromethyl)phenyl]furan-2-carboximidamide
MolecularFormula	C12H8N3O4F3
Smiles	N/C(/c1ccc(-c(cc2)cc(C(F)(F)F)c2[N+]([O-])=O)o1)=N\O
InChI	InChI=1S/C12H8F3N3O4/c13-12(14,15)7-5-6(1-2-8(7)18(20)21)9-3-4-10(22-9)11(16)17-19/h1-5,19H,(H2,16,17)
InChIK	MFBFPZNUKICXAF-UHFFFAOYSA-N
TotalMolweight	315.207
Molweight	315.207
MonoisotopicMass	315.046691
CLogP	2.2339
CLogS	-4.778
H Acceptors	7
H Donors	2
TotalSurfaceArea	213.68
Relative PSA	0.39503
PolarSurfaceArea	117.57
Druglikeness	-11.594
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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